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Molecule
Succinimide
CAS: 123-56-8 · C4H5NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-56-8
- Molecular Formula
- C4H5NO2
- Molecular Mass
- 99.09 g/mol
Identifiers
CAS Registry Number
123-56-8
SMILES
O=C1CCC(O)=N1
InChI Key
KZNICNPSHKQLFF-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Names and Synonyms
- Succinimide Common Name
- 2,5-Pyrrolidinedione Synonym
- Succinimide Synonym
- Butanimide Synonym
- 2,5-Diketopyrrolidine Synonym
- Succinic imide Synonym
- 2,5-Dioxopyrrolidine Synonym
- Succinic acid imide Synonym
- Lubrizol 6406 Synonym
- NSC 11204 Synonym
- NSC 13114 Synonym
- NSC 49152 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.09 g/mol | CAS Common Chemistry |
| 99.089 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Succinimide | CAS Common Chemistry |
| Boiling Point | 288 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=KZNICNPSHKQLFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126.5 °C | CAS Common Chemistry |
| Name | Succinimide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 0.26330000000000003 | RDKit |
| 0.2633 | RDKit | |
| Molar Refractivity | 24.304799999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 99.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 99.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H5NO2.
